NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 325 A 4.3130 8.2493 123.5749 52.3623 19.8957 175.7322 326 S 4.8781 8.1878 109.1598 57.1966 65.1796 171.2561 327 C 5.0428 8.5165 123.8351 58.0991 33.9160 173.5579 328 F 5.8576 9.6805 123.7938 56.1671 43.9806 173.3365 329 A 5.4015 9.3693 120.3504 50.7626 22.9792 174.9369 330 L 5.1058 9.4250 124.5733 53.4260 44.7503 175.0152 331 I 4.8875 8.3354 127.1426 59.7192 39.6866 175.0337 332 S 5.1818 9.2372 121.5243 55.1380 67.2286 174.9415 333 G 3.8946 7.7498 106.9939 45.5189 0.0000 172.1164 334 T 4.3948 8.7445 111.2710 61.1463 70.8664 174.9561 335 A 4.0256 8.6439 123.4351 55.6749 18.2701 179.9065 336 N 4.3237 8.0847 114.2719 56.3884 38.6668 177.4644 337 Q 3.9945 7.9570 119.2327 58.9960 28.8949 179.0207 338 V 3.5142 7.7737 119.0228 65.9788 31.5877 177.8872 339 K 3.9818 8.1294 119.1924 59.9150 32.0835 178.5254 340 C 4.3288 8.4533 116.9549 62.4273 27.9412 175.4826 341 Y 4.0105 8.4190 121.7709 60.7031 38.3852 177.8421 342 R 3.8782 8.2856 119.6277 59.6046 30.1537 178.0567 343 F 4.0917 8.2913 120.1601 61.3214 39.2852 177.3769 344 R 3.7711 8.1100 117.5560 59.3721 29.9481 179.1965 345 V 3.6120 7.7301 118.2315 65.8047 31.1563 177.9811 346 K 4.2715 7.9509 120.3004 58.7339 32.1779 178.6269 347 K 4.0422 7.6767 117.6121 58.1545 32.1695 178.0291 348 N 4.8436 8.3775 114.8998 53.1914 40.2511 174.8235 349 H 4.9643 8.1651 117.6985 55.0016 30.1524 175.4292 350 R 3.9274 8.6052 122.5440 59.6796 29.7370 176.7109 351 H 4.4838 8.1530 110.5051 56.6248 29.0935 175.7622 352 R 4.5100 8.2315 119.1987 56.8199 30.0309 175.2839 353 Y 4.7606 7.2058 115.5025 55.6400 40.7373 174.7292 354 E 3.9885 8.3115 121.8376 58.2025 29.6636 175.8403 355 N 5.2651 8.3364 115.0661 52.0057 43.8040 172.4413 356 C 5.3672 8.6380 119.7557 58.0725 34.9587 173.3719 357 T 4.7026 8.4244 115.2542 60.4755 70.6039 174.3089 358 T 4.3590 8.3418 112.8511 60.9648 70.0840 174.1377 359 T 4.2246 8.2093 118.6837 63.4673 69.2136 174.1691 360 W 5.3620 8.2899 121.7000 55.1601 32.4788 173.3758 361 F 5.3792 8.9645 117.9330 56.3436 42.9220 173.9818 362 T 4.6491 8.6480 115.8913 62.2837 70.0969 176.7047 363 V 3.8782 8.1875 128.6539 62.6173 30.4042 175.9214 *373 Q 4.2939 7.6875 117.4790 55.5144 30.2272 177.0916 374 A 3.1126 8.7776 125.7724 52.1257 19.9294 176.3383 375 Q 4.3979 7.4737 117.7396 53.9588 33.4400 174.1997 376 I 4.7076 7.9508 115.2892 58.9058 41.7394 173.6305 377 L 5.2930 9.0658 125.8924 53.5399 44.7119 174.8789 378 I 4.9216 8.8490 127.2798 59.7079 39.8606 175.0372 379 T 4.5942 8.4761 116.9274 60.1553 71.5414 173.4858 380 F 5.0128 8.2968 120.5019 55.7340 42.4282 175.7917 381 G 3.6882 9.4498 111.5590 47.4809 0.0000 174.0019 382 S 4.5717 7.5000 112.9552 56.0903 66.2301 174.8992 383 P 4.2175 0.0000 0.0000 65.7255 31.0019 179.0085 384 S 4.0900 8.0382 113.5326 61.7852 62.7839 176.1754 385 Q 4.0454 7.8595 121.8341 59.5209 28.6965 178.6671 386 R 2.8996 7.7098 119.0082 58.8378 30.0029 178.3524 387 Q 3.8724 8.2011 119.9724 59.1528 28.9009 177.6078 388 D 4.4069 8.6043 119.5557 57.1653 41.1978 177.8941 389 F 4.1737 8.5791 121.5716 61.5385 39.2827 177.1340 390 L 4.0527 8.1960 117.2489 57.5575 41.4576 179.0876 391 K 4.1966 7.7414 116.1117 57.6882 32.3460 177.0710 392 H 4.6312 7.6521 114.0480 55.0278 30.7708 173.9023 393 V 3.8735 7.3123 119.4971 60.0059 31.9506 173.4109 394 P 4.2979 0.0000 0.0000 62.0408 31.8377 176.1698 395 L 4.3462 8.3560 125.1710 53.2296 41.6393 174.4906 396 P 4.3878 0.0000 0.0000 61.7512 31.9694 174.5128 397 P 4.4146 0.0000 0.0000 64.6756 31.5902 176.7681 398 G 3.9846 9.0456 111.0319 45.2843 0.0000 173.2130 399 M 4.6390 7.4904 118.2895 54.4558 33.6274 175.3086 400 N 5.1540 8.7542 117.6642 51.8182 42.9368 173.6366 401 I 4.9554 7.9875 119.8413 60.1941 41.1970 173.9115 402 S 4.6735 9.3224 125.3575 56.6293 66.3623 173.3534 403 G 4.3397 8.4541 111.1490 45.3690 0.0000 172.8943 404 F 5.2346 9.2282 120.7252 55.9111 44.0088 173.7429 405 T 5.3813 8.8508 116.6652 61.9852 71.3409 173.2757 406 A 4.8985 9.4763 127.3481 50.2690 22.4681 175.3882 407 S 4.7263 8.4991 115.1253 56.2471 66.0404 173.9797 408 L 4.0689 8.4356 126.0876 55.1378 42.6021 175.6937 409 D 4.7214 8.4870 125.6592 55.6052 42.1453 176.3831 410 F 4.4982 6.9553 116.5779 57.1818 37.6610 173.7899 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 325 A 8.25 4.31 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 326 S 8.19 4.88 0.00 4.23 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 327 C 8.52 5.04 0.00 3.02 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 328 F 9.68 5.86 0.00 3.16 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 329 A 9.37 5.40 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 330 L 9.43 5.11 0.00 1.97 1.83 1.03 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 331 I 8.34 4.89 1.67 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.67 0.40 0.00 0.00 332 S 9.24 5.18 0.00 3.63 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 333 G 7.75 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 334 T 8.74 4.39 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 335 A 8.64 4.03 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 336 N 8.08 4.32 0.00 2.84 2.88 0.00 0.00 7.13 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 337 Q 7.96 3.99 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 338 V 7.77 3.51 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.74 0.00 0.00 339 K 8.13 3.98 0.00 1.99 1.81 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.52 7.81 340 C 8.45 4.33 0.00 3.16 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 341 Y 8.42 4.01 0.00 3.10 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 342 R 8.29 3.88 0.00 2.04 2.18 0.00 3.21 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 343 F 8.29 4.09 0.00 3.18 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 344 R 8.11 3.77 0.00 2.16 1.83 0.00 3.16 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 345 V 7.73 3.61 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.39 0.00 0.00 346 K 7.95 4.27 0.00 1.92 1.93 0.00 1.76 0.00 0.00 1.57 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.44 7.81 347 K 7.68 4.04 0.00 1.39 1.61 0.00 1.56 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.79 0.70 7.81 348 N 8.38 4.84 0.00 2.58 2.63 0.00 0.00 6.79 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 349 H 8.17 4.96 0.00 3.41 3.30 0.00 5.84 0.00 0.00 0.00 0.00 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 350 R 8.61 3.93 0.00 1.93 1.97 0.00 2.98 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 351 H 8.15 4.48 0.00 3.30 3.35 0.00 5.57 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 352 R 8.23 4.51 0.00 2.33 2.47 0.00 3.14 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.37 0.00 353 Y 7.21 4.76 0.00 2.56 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 354 E 8.31 3.99 0.00 1.85 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 355 N 8.34 5.27 0.00 2.71 2.65 0.00 0.00 6.52 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 356 C 8.64 5.37 0.00 2.80 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 357 T 8.42 4.70 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 358 T 8.34 4.36 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 359 T 8.21 4.22 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 360 W 8.29 5.36 0.00 3.36 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 361 F 8.96 5.38 0.00 2.98 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 362 T 8.65 4.65 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 363 V 8.19 3.88 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.99 0.00 0.00 *373 Q 7.69 4.29 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 374 A 8.78 3.11 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 375 Q 7.47 4.40 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.68 0.00 0.00 0.00 0.00 0.00 1.87 1.74 0.00 376 I 7.95 4.71 1.87 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.69 0.79 0.00 0.00 377 L 9.07 5.29 0.00 2.18 1.74 1.13 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 378 I 8.85 4.92 1.71 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.83 0.04 0.00 0.00 379 T 8.48 4.59 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 380 F 8.30 5.01 0.00 2.80 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 381 G 9.45 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 382 S 7.50 4.57 0.00 4.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 383 P 0.00 4.22 0.00 2.17 2.12 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 384 S 8.04 4.09 0.00 3.87 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 385 Q 7.86 4.05 0.00 2.15 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.82 2.53 0.00 386 R 7.71 2.90 0.00 0.86 1.68 0.00 2.93 0.00 0.00 2.90 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 387 Q 8.20 3.87 0.00 2.35 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 388 D 8.60 4.41 0.00 2.76 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 389 F 8.58 4.17 0.00 3.63 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 390 L 8.20 4.05 0.00 1.82 1.75 0.91 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 391 K 7.74 4.20 0.00 1.88 1.75 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.68 1.60 7.81 392 H 7.65 4.63 0.00 2.96 3.31 0.00 5.82 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 393 V 7.31 3.87 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 -0.16 0.00 0.00 394 P 0.00 4.30 0.00 2.09 1.96 0.00 3.64 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 395 L 8.36 4.35 0.00 1.61 1.62 0.84 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 396 P 0.00 4.39 0.00 2.26 2.01 0.00 3.75 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.23 0.00 397 P 0.00 4.41 0.00 2.04 2.02 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 398 G 9.05 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 399 M 7.49 4.64 0.00 1.83 2.04 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.45 0.00 400 N 8.75 5.15 0.00 2.56 2.63 0.00 0.00 6.69 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 401 I 7.99 4.96 1.85 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.69 0.92 0.00 0.00 402 S 9.32 4.67 0.00 3.92 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 403 G 8.45 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 404 F 9.23 5.23 0.00 3.06 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 405 T 8.85 5.38 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 406 A 9.48 4.90 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 407 S 8.50 4.73 0.00 3.83 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 408 L 8.44 4.07 0.00 1.56 1.55 0.82 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 409 D 8.49 4.72 0.00 2.32 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 410 F 6.96 4.50 0.00 3.05 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.